恒温非均匀颗粒流体理论:自洽密度泛函描述
Theory of thermostatted inhomogeneous granular fluids: a self-consistent density functional description
摘要:
研究了在高斯热浴作用下,一维硬杆流体在非弹性碰撞中耗散能量的非平衡统计性质,模拟了外部驱动机制。他们表明,描述的流体的基础上的一个粒子的相空间减少的分布函数,在原则上是必要的,因为存在速度依赖的碰撞耗散,可以收缩到一个更简单的描述在配置空间。事实上,通过多时间尺度方法,作者推导出一个自洽的粒子密度分布函数的控制方程。该方程类似于胶体研究中采用的动态密度泛函方程,但包含考虑流体非弹性性质的附加项。这些项不能从Liapunov生成泛函中导出,不仅对弛豫性质有贡献,而且对非平衡稳态性质也有贡献。在一系列的情况下,对分子动力学模拟的理论验证,并发现良好的协议。
英文摘要:
The authors present a study of the non equilibrium statistical properties of a one dimensional hard-rod fluid dissipating energy via inelastic collisions and subject to the action of a Gaussian heat bath, simulating an external driving mechanism. They show that the description of the fluid based on the one-particle phase-space reduced distribution function, in principle necessary because of the presence of velocity dependent collisional dissipation, can be contracted to a simpler description in configurational space. Indeed, by means of a multiple-time scale method the authors derive a self-consistent governing equation for the particle density distribution function. This equation is similar to the dynamic density functional equation employed in the study of colloids, but contains additional terms taking into account the inelastic nature of the fluid. Such terms cannot be derived from a Liapunov generating functional and contribute not only to the relaxational properties, but also to the non equilibrium steady state properties. A validation of the theory against molecular dynamics simulations is presented in a series of cases, and good agreement is found.
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